(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride

C8H11ClFN — CID 45072320

IUPAC(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccccc1F.Cl
InChIInChI=1S/C8H10FN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKeyWEZXQPGVPSHAAZ-RGMNGODLSA-N
MW175.63 g/mol
LogP2.27
Rot. Bonds1

About (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride

(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride (PubChem CID 45072320) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
PubChem CID45072320
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC Name(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccccc1F.Cl
InChIInChI=1S/C8H10FN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKeyWEZXQPGVPSHAAZ-RGMNGODLSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933473

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride (CID 45072320) is (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride is C[C@H](N)c1ccccc1F.Cl.
What is the InChIKey of (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is WEZXQPGVPSHAAZ-RGMNGODLSA-N. The full InChI is InChI=1S/C8H10FN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride?
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 175.63 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 45072320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).